Geometry & MOs

Info

ID:	322000
PubChem CID:	126667896
Reduced:	ClO6H15C19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	443.193295
ΔH_f, kcal/mol:	-200.93
Dipole, Da:	4.53
IP(EA), eV:	-9.63(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]-N-[(1R,2S)-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]cyclopentyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2O

DOS

IR

Vibrations