Geometry & MOs

Info

ID:	421945
PubChem CID:	135116887
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	368.097683
ΔH_f, kcal/mol:	-98.77
Dipole, Da:	3.37
IP(EA), eV:	-8.38(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC(=C(O3)C)C)O

DOS

IR

Vibrations