Geometry & MOs

Info

ID:	312180
PubChem CID:	126603474
Reduced:	OSN2C11H24 (1)
Stoich.:	ABC2D11E24 (1)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	4.8
IP(EA), eV:	-8.61(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(C)N(C)S)C(C)NC(=O)C

DOS

IR

Vibrations