Geometry & MOs

Info

ID:	395836
PubChem CID:	135026674
Reduced:	SN2O5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	490.165935
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	2.18
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R,4S)-1-(4-chlorophenyl)-3-methyl-4-phenyl-2-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyridine-6-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

C[C@@H]1[C@H](C=C(N([C@H]1NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)OC)C4=CC=CS4

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

C[C@@H]1[C@H](C=C(N([C@H]1NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)OC)C4=CC=CS4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):