Geometry & MOs

Info

ID:	37698
PubChem CID:	8023387
Reduced:	SO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	26.81
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768547
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C[NH+](CC3)C)[N+](=O)[O-]

DOS

IR

Vibrations