Geometry & MOs

Info

ID:	122437
PubChem CID:	50807124
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	442.111791
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	6.28
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(thiophen-2-ylmethyl)amino]-5-[(4-chlorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCN(C)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations