Geometry & MOs

Info

ID:	237403
PubChem CID:	92719050
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	440.14376
ΔH_f, kcal/mol:	-169.15
Dipole, Da:	7.09
IP(EA), eV:	-9.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations