Geometry & MOs

Info

ID:	221998
PubChem CID:	85293264
Reduced:	N3O4C25H39 (1)
Stoich.:	A3B4C25D39 (1)
Weight, g/mol:	445.042996
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	4.28
IP(EA), eV:	-8.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-(2,6-dichloro-5-fluoropyridine-3-carbonyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC=CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations