Geometry & MOs

Info

ID:	66269
PubChem CID:	46501241
Reduced:	BrN2O2C26H35 (1)
Stoich.:	AB2C2D26E35 (1)
Weight, g/mol:	428.223056
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	4.35
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorobenzoyl)amino]-N-undecylbenzamide

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations