Geometry & MOs

Info

ID:	142490
PubChem CID:	53043503
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	419.112605
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	6.68
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(2-thiophen-2-yl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)C5=C(S4)CCCC5

DOS

IR

Vibrations