Geometry & MOs

Info

ID:	312181
PubChem CID:	126603476
Reduced:	SN3O4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	371.187878
ΔH_f, kcal/mol:	-176.27
Dipole, Da:	4.92
IP(EA), eV:	-9.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-(2-methylpropoxy)propanoate

Drug info:

PubChemData

Smile

CC(C)COC[C@@H](C(=O)O)NC(=O)N(C)CC1=CSC(=N1)C(C)C

DOS

IR

Vibrations