Geometry & MOs

Info

ID:	195436
PubChem CID:	78685357
Reduced:	ClO3N4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	4.93
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations