Geometry & MOs

Info

ID:	422243
PubChem CID:	135117485
Reduced:	N3O3C16H18 (2)
Stoich.:	A3B3C16D18 (2)
Weight, g/mol:	344.151826
ΔH_f, kcal/mol:	-147.44
Dipole, Da:	8.91
IP(EA), eV:	-8.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(1H-pyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CC(=NC5=CC=CC=C54)OC

DOS

IR

Vibrations