Geometry & MOs

Info

ID:	164753
PubChem CID:	74447195
Reduced:	NO4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	363.01062
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	2.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780328
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-bromobenzoyl)amino]-3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CC1CC(=O)[O-])C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations