Geometry & MOs

Info

ID:	166224
PubChem CID:	74651990
Reduced:	N2O3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	410.152495
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	7.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765181
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C[NH+](CC(=O)NC1=CC=CC(=C1)C(=O)OC)C2CCC3=CC=CC=C23

DOS

IR

Vibrations