Geometry & MOs

Info

ID:	337878
PubChem CID:	127258501
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	203.072848
ΔH_f, kcal/mol:	-207.95
Dipole, Da:	2.48
IP(EA), eV:	-10.8(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(carbamothioylhydrazinylidene)-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCCCOC(=O)C

DOS

IR

Vibrations