Geometry & MOs

Info

ID:	142090
PubChem CID:	52978686
Reduced:	ClSO2N3C26H26 (1)
Stoich.:	ABC2D3E26F26 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	26.33
Dipole, Da:	5.38
IP(EA), eV:	-8.74(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-2-(4-acetylphenyl)imino-8-methoxy-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C\2=CC3CC(CCC3O/C2=N\C4=C(C5=C(S4)CCCC5)C#N)Cl

DOS

IR

Vibrations