Geometry & MOs

Info

ID:	138457
PubChem CID:	52369418
Reduced:	ON3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	362.060425
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	3.12
IP(EA), eV:	-8.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@H](C)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations