Geometry & MOs

Info

ID:	223588
PubChem CID:	85335281
Reduced:	O2N7C24H27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	447.171559
ΔH_f, kcal/mol:	104.95
Dipole, Da:	13.97
IP(EA), eV:	-8.14(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)prop-2-enylamino]phenyl]propanoate

Drug info:

PubChemData

Smile

CCC(=C1N=C2C(=CN=N2)C(=O)N1CC3=CC=CC=C3)N(CCNC)CC4C=CC(=O)N=C4

DOS

IR

Vibrations