Geometry & MOs

Info

ID:	151374
PubChem CID:	53801159
Reduced:	N4S4O6C11H12 (1)
Stoich.:	A4B4C6D11E12 (1)
Weight, g/mol:	611.221875
ΔH_f, kcal/mol:	-156.09
Dipole, Da:	1.58
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-oxopyrrolidine-1-carbonyl)amino]-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]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

C1C(=C(N2[C@@H](S1)C(C2=O)N)C(=O)O)CSC3=NN=C(S3)CS(=O)(=O)O

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

C1C(=C(N2[C@@H](S1)C(C2=O)N)C(=O)O)CSC3=NN=C(S3)CS(=O)(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):