Geometry & MOs

Info

ID:	321097
PubChem CID:	126664777
Reduced:	O5N6C30H32 (1)
Stoich.:	A5B6C30D32 (1)
Weight, g/mol:	252.077993
ΔH_f, kcal/mol:	-90.96
Dipole, Da:	9.67
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(but-3-enylsulfonylamino)-2-hydroxypropyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(N(C2=CC=CC=C21)C(=O)O)C3=NC(=CN=C3C#N)NC(CNC(=O)OCC4=CC=CC=C4)COC

DOS

IR

Vibrations