Geometry & MOs

Info

ID:	169711
PubChem CID:	75140682
Reduced:	ClNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=CC=CC(=C2O)C)C1=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations