Geometry & MOs

Info

ID:	131682
PubChem CID:	51243518
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-66.23
Dipole, Da:	7.07
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)C(C)N1CCC(CC1)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations