Geometry & MOs

Info

ID:	435189
PubChem CID:	135183735
Reduced:	NPO3C14H32 (1)
Stoich.:	ABC3D14E32 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-260.36
Dipole, Da:	4.66
IP(EA), eV:	-9.82(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-3-methyl-2-[(4-methylphenyl)carbamothioylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCC(C)(N)P(=O)(O)O

DOS

IR

Vibrations