Geometry & MOs

Info

ID:	264461
PubChem CID:	103463212
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-170.8
Dipole, Da:	3.8
IP(EA), eV:	-9.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)N1C(CSC1C(C)C)C(=O)O

DOS

IR

Vibrations