Geometry & MOs

Info

ID:	243615
PubChem CID:	99233391
Reduced:	SN2O3C23H36 (1)
Stoich.:	AB2C3D23E36 (1)
Weight, g/mol:	466.08921
ΔH_f, kcal/mol:	-164.11
Dipole, Da:	5.89
IP(EA), eV:	-8.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromobenzoyl)amino]-N-[3-(propan-2-yloxymethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(C)C)C)C

DOS

IR

Vibrations