Geometry & MOs

Info

ID:	228352
PubChem CID:	87564057
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-122.02
Dipole, Da:	4.45
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nonan-2-ylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCCCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations