Geometry & MOs

Info

ID:	194261
PubChem CID:	78504763
Reduced:	ClNO5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	413.103
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	6.68
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations