Geometry & MOs

Info

ID:	67348
PubChem CID:	46506317
Reduced:	BrSO2N4C29H29 (1)
Stoich.:	ABC2D4E29F29 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-29.09
Dipole, Da:	6.82
IP(EA), eV:	-8.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3C(=C2C4=CC=C(C=C4)Br)C(=C(S3)C(=O)NC5CCCC5)N)C)C

DOS

IR

Vibrations