Geometry & MOs

Info

ID:	147053
PubChem CID:	53786544
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	168.126263
ΔH_f, kcal/mol:	-170.83
Dipole, Da:	5.34
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyano-N-(3-methylpentan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CO)COC(=O)[C@H](C(C)(C)S)N

DOS

IR

Vibrations