Geometry & MOs

Info

ID:	173838
PubChem CID:	75690384
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	4.58
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-2-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)C(=O)C3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations