Geometry & MOs

Info

ID:	147045
PubChem CID:	53786522
Reduced:	NO5C9H17 (1)
Stoich.:	AB5C9D17 (1)
Weight, g/mol:	160.030649
ΔH_f, kcal/mol:	-237.09
Dipole, Da:	1.95
IP(EA), eV:	-9.9(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)ethyl carbamate

Drug info:

PubChemData

Smile

CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)N)O)C

DOS

IR

Vibrations