Geometry & MOs

Info

ID:	170206
PubChem CID:	75206733
Reduced:	FON3C25H28 (1)
Stoich.:	ABC3D25E28 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-20.45
Dipole, Da:	4.58
IP(EA), eV:	-8.86(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)N(C)C(C)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations