Geometry & MOs

Info

ID:	188134
PubChem CID:	77671231
Reduced:	ClO2N9C18H20 (1)
Stoich.:	AB2C9D18E20 (1)
Weight, g/mol:	382.116486
ΔH_f, kcal/mol:	18.17
Dipole, Da:	3.4
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C4C(N=C3Cl)N(C(=O)N(C4=O)C)C

DOS

IR

Vibrations