Geometry & MOs

Info

ID:	219487
PubChem CID:	85148750
Reduced:	N3O4C30H49 (1)
Stoich.:	A3B4C30D49 (1)
Weight, g/mol:	515.070655
ΔH_f, kcal/mol:	-209.47
Dipole, Da:	6.87
IP(EA), eV:	-9.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(4-chlorophenyl)methylideneamino]-4-oxoquinazolin-2-yl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C(C)(C)C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)O)C(C)C)C(C)(C)C)NC

DOS

IR

Vibrations