Geometry & MOs

Info

ID:	133146
PubChem CID:	51484896
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	465.183461
ΔH_f, kcal/mol:	-26.06
Dipole, Da:	4.89
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(cyclopropylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1CC1)SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations