Geometry & MOs

Info

ID:	35549
PubChem CID:	7980018
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	5.69
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(4-tert-butylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations