Geometry & MOs

Info

ID:	54145
PubChem CID:	14720394
Reduced:	SN3O8C12H17 (1)
Stoich.:	AB3C8D12E17 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-355.43
Dipole, Da:	10.59
IP(EA), eV:	-10.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4,6-dimethylpyrimidin-2-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate

Drug info:

PubChemData

Smile

CC(=O)SC(CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)O

DOS

IR

Vibrations