Geometry & MOs

Info

ID:	187503
PubChem CID:	77581433
Reduced:	BrClSiN2O3C27H34 (1)
Stoich.:	ABCD2E3F27G34 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	3.84
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]amino]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C)C1C2(C(CC(=O)N1)C3=CC(=CC=C3)Cl)C4=C(C=C(C=C4)Br)NC2=O.COCC[Si](C)(C)C

DOS

IR

Vibrations