Geometry & MOs

Info

ID:	206445
PubChem CID:	80251030
Reduced:	S2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	270.103814
ΔH_f, kcal/mol:	64.19
Dipole, Da:	4.87
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC2=NC=NS2

DOS

IR

Vibrations