Geometry & MOs

Info

ID:	139107
PubChem CID:	52473578
Reduced:	OS3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	403.113667
ΔH_f, kcal/mol:	41.73
Dipole, Da:	8.13
IP(EA), eV:	-8.78(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NN=C(S2)S[C@H](C)C(=O)NCCC3=CC=CS3)C

DOS

IR

Vibrations