Geometry & MOs

Info

ID:	189187
PubChem CID:	77825739
Reduced:	SCl2N2O4C27H32 (1)
Stoich.:	AB2C2D4E27F32 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	6.4
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Cl)N(CC)C(=O)C(C(C(=O)NCC2CC=C(S2)CC3=CC=C(C=C3)Cl)O)O

DOS

IR

Vibrations