Geometry & MOs

Info

ID:	56157
PubChem CID:	17422305
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-51.12
Dipole, Da:	8.4
IP(EA), eV:	-9.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3=CC4=C(S3)CCC(C4)C

DOS

IR

Vibrations