Geometry & MOs

Info

ID:	202516
PubChem CID:	79680893
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	273.151098
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	4.68
IP(EA), eV:	-8.95(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)N2CCOC(C2)C(=NO)N

DOS

IR

Vibrations