Geometry & MOs

Info

ID:	162776
PubChem CID:	57569569
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	540.107055
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	6.29
IP(EA), eV:	-9.41(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C2=NC=NC(=C2)C(=O)O

DOS

IR

Vibrations