Geometry & MOs

Info

ID:	139074
PubChem CID:	52469351
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	9.91
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-ethyl-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations