Geometry & MOs

Info

ID:	175095
PubChem CID:	75855757
Reduced:	O2N3S3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	403.113667
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	4.39
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NC3=C(C=CS3)C(=O)N2CC=C

DOS

IR

Vibrations