Geometry & MOs

Info

ID:	187627
PubChem CID:	77599392
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	2.49
IP(EA), eV:	-9.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-1-phenylheptan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=NC(=NC2=O)CC3CCCC3)S1)C

DOS

IR

Vibrations