Geometry & MOs

Info

ID:	162772
PubChem CID:	57568211
Reduced:	FOSiC15H25 (1)
Stoich.:	ABCD15E25 (1)
Weight, g/mol:	510.048872
ΔH_f, kcal/mol:	-170.97
Dipole, Da:	2.18
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(3-hydroxyprop-1-ynyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)[Si](C1=CC=CC(=C1)CCCO)(C(C)C)F

DOS

IR

Vibrations