Geometry & MOs

Info

ID:	317607
PubChem CID:	126644320
Reduced:	BrSO2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	5.35
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-(4-hydroxybut-1-ynyl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Br

DOS

IR

Vibrations