Geometry & MOs

Info

ID:	124087
PubChem CID:	50872187
Reduced:	N2O2S2C17H18 (1)
Stoich.:	A2B2C2D17E18 (1)
Weight, g/mol:	382.116486
ΔH_f, kcal/mol:	6.58
Dipole, Da:	4.01
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C=CCN1C(=O)/C(=C\C2=CC=CC=C2N3CCOCC3)/SC1=S

DOS

IR

Vibrations