Geometry & MOs

Info

ID:	62428
PubChem CID:	26719708
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	371.114903
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	6.09
IP(EA), eV:	-8.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations