Geometry & MOs

Info

ID:	163446
PubChem CID:	57965704
Reduced:	N4O5C30H40 (1)
Stoich.:	A4B5C30D40 (1)
Weight, g/mol:	548.1423
ΔH_f, kcal/mol:	-185.37
Dipole, Da:	5.7
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-aminophenyl)-3-[4-[2-(4-bromoanilino)-1-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)C(C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3NC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations