Geometry & MOs

Info

ID:	37987
PubChem CID:	8026245
Reduced:	OSN4C23H26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	398.150954
ΔH_f, kcal/mol:	8.84
Dipole, Da:	1.77
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC5=C(CCC5)C=C4)C

DOS

IR

Vibrations