Geometry & MOs

Info

ID:	67485
PubChem CID:	46506559
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	3.51
IP(EA), eV:	-8.77(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)imino-7-phenylmethoxychromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=S)N

DOS

IR

Vibrations