Geometry & MOs

Info

ID:	122999
PubChem CID:	50829690
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	5.83
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CO1)N2C3=CC=CC=C3C(=O)N4CCCCC4C2=O

DOS

IR

Vibrations