Geometry & MOs

Info

ID:	32207
PubChem CID:	6435924
Reduced:	SN4O10C24H28 (1)
Stoich.:	AB4C10D24E28 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	-354.85
Dipole, Da:	7.36
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O

DOS

IR

Vibrations