Geometry & MOs

Info

ID:	68015
PubChem CID:	46507605
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	386.066949
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	5.6
IP(EA), eV:	-8.63(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)NC4CC3(OC5=C4C=C(C=C5)Cl)C

DOS

IR

Vibrations