Geometry & MOs

Info

ID:	122558
PubChem CID:	50812430
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	386.130028
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	6.03
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)Cl)OC1

DOS

IR

Vibrations