Geometry & MOs

Info

ID:	417924
PubChem CID:	135103075
Reduced:	SO6N7C32H41 (1)
Stoich.:	AB6C7D32E41 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	-179.97
Dipole, Da:	8.93
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC3=CN(CCCO2)N=N3)CC4=CC=CC=C4)[C@@H](C)O)CCSC

DOS

IR

Vibrations