Geometry & MOs

Info

ID:	44259
PubChem CID:	10502255
Reduced:	ClOSN6H13C20 (1)
Stoich.:	ABCD6E13F20 (1)
Weight, g/mol:	420.135304
ΔH_f, kcal/mol:	81.39
Dipole, Da:	9.42
IP(EA), eV:	-8.47(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(Z)-1,2-diphenyl-2-pyrrolidin-1-ylethenyl]-2-methyl-5-nitropyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C(=C4C(=C(SC4=NC3=N2)C(=O)NC5=CC=C(C=C5)Cl)N)N

DOS

IR

Vibrations