Geometry & MOs

Info

ID:	79616
PubChem CID:	49829728
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	423.248169
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	6.62
IP(EA), eV:	-9.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-oxopentan-2-yl]triazol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(C)S(=O)(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations