Geometry & MOs

Info

ID:	170162
PubChem CID:	75205088
Reduced:	SN2O6C24H24 (1)
Stoich.:	AB2C6D24E24 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	6.77
IP(EA), eV:	-8.87(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(3-chlorophenyl)ethylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCC(=O)NCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=O)C

DOS

IR

Vibrations