Geometry & MOs

Info

ID:	423716
PubChem CID:	135120065
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	5.36
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations