Geometry & MOs

Info

ID:	35649
PubChem CID:	7980139
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	348.068097
ΔH_f, kcal/mol:	-155.35
Dipole, Da:	6.77
IP(EA), eV:	-8.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2-methylquinazolin-4-yl)sulfanyl-3-(4-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)COC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C)C

DOS

IR

Vibrations