Geometry & MOs

Info

ID:	34326
PubChem CID:	7890772
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	398.152495
ΔH_f, kcal/mol:	-170.0
Dipole, Da:	6.36
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-butan-2-yl]phenyl]-2-[[5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N

DOS

IR

Vibrations