Geometry & MOs

Info

ID:	180427
PubChem CID:	76631137
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	612.193709
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	3.79
IP(EA), eV:	-8.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(1-methylpyrazol-3-yl)methoxyimino]-2-[4-(oxolan-3-ylsulfonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=NOCC1=CC=CC=C1)C2=C(C=C(C=C2)SC3CC3)C

DOS

IR

Vibrations