Geometry & MOs

Info

ID:	165358
PubChem CID:	74537337
Reduced:	SCl2N2O3H16C20 (1)
Stoich.:	AB2C2D3E16F20 (1)
Weight, g/mol:	446.037102
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	5.48
IP(EA), eV:	-9.04(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N2C(=O)C(=CC3=CC4=C(C(=C3)Cl)OCCCO4)NC2=S

DOS

IR

Vibrations