Geometry & MOs

Info

ID:	369623
PubChem CID:	127334953
Reduced:	N3O4C19H31 (1)
Stoich.:	A3B4C19D31 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-220.67
Dipole, Da:	5.88
IP(EA), eV:	-9.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations