Geometry & MOs

Info

ID:	398943
PubChem CID:	135036493
Reduced:	ClNO3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	3.8
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S)-4-(4-methoxyphenyl)-2-oxo-3-propan-2-yl-4,5-dihydro-1H-3-benzazepine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2[C@@H]([C@H](C3=CC=CC=C3CC2=O)C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations