Geometry & MOs

Info

ID:	420070
PubChem CID:	135110987
Reduced:	NSO6C18H21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-226.67
Dipole, Da:	9.66
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC[C@@H]([C@H](C3)C(=O)O)O

DOS

IR

Vibrations