Geometry & MOs

Info

ID:	65042
PubChem CID:	29204380
Reduced:	BrSN2O6C20H23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-181.28
Dipole, Da:	4.35
IP(EA), eV:	-9.35(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(2-methoxy-5-nitrobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)OC)Br

DOS

IR

Vibrations