Geometry & MOs

Info

ID:	62048
PubChem CID:	26717271
Reduced:	BrSN3O4H16C21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	434.11611
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	6.77
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methyltetrazol-5-yl)sulfanyl-N-[(1R)-1-naphthalen-2-ylethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations