Geometry & MOs

Info

ID:	423492
PubChem CID:	135119593
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	327.125277
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	2.3
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)N5CCOCC5

DOS

IR

Vibrations