Geometry & MOs

Info

ID:	35057
PubChem CID:	7979242
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	4.91
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations