Geometry & MOs

Info

ID:	155764
PubChem CID:	56367440
Reduced:	NOH5C6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	499.156577
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	4.16
IP(EA), eV:	-9.13(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations