Geometry & MOs

Info

ID:	81274
PubChem CID:	49854537
Reduced:	N2O4F6C27H28 (1)
Stoich.:	A2B4C6D27E28 (1)
Weight, g/mol:	548.174591
ΔH_f, kcal/mol:	-474.21
Dipole, Da:	3.29
IP(EA), eV:	-8.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C=CC3=C2CCC3)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C=CC3=C2CCC3)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):