Geometry & MOs

Info

ID:	135465
PubChem CID:	51875144
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	448.072052
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	4.75
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)CCCNC(=O)C2=CC=CO2

DOS

IR

Vibrations