Geometry & MOs

Info

ID:	37795
PubChem CID:	8024540
Reduced:	OSN4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	38.17
Dipole, Da:	4.56
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCC(CC3)C4=NC5=CC=CC=C5S4)C=C1

DOS

IR

Vibrations