Geometry & MOs

Info

ID:	135505
PubChem CID:	51882344
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	485.224932
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	1.19
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations