Geometry & MOs

Info

ID:	131294
PubChem CID:	51187617
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	2.34
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3CSC4(N3C(=O)CC4)C

DOS

IR

Vibrations