Geometry & MOs

Info

ID:	39444
PubChem CID:	8140814
Reduced:	N4O6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	7.19
IP(EA), eV:	-9.13(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NN2C(=O)[C@](NC2=O)(C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations