Geometry & MOs

Info

ID:	203615
PubChem CID:	79851395
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	2.52
IP(EA), eV:	-9.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[cycloheptyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC(=O)NC2(CCC2)CC(=O)O

DOS

IR

Vibrations