Geometry & MOs

Info

ID:	69296
PubChem CID:	46530606
Reduced:	O3N5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	422.128943
ΔH_f, kcal/mol:	-18.61
Dipole, Da:	6.91
IP(EA), eV:	-8.16(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)NC2=CC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations