Geometry & MOs

Info

ID:	42949
PubChem CID:	10317347
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	4.5
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methyl-4-oxo-4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](C2=CC=CC=C2)NC(=O)C3=CC=C(S3)C(=O)NO

DOS

IR

Vibrations