Geometry & MOs

Info

ID:	185463
PubChem CID:	77302264
Reduced:	ClON2S2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	286.152872
ΔH_f, kcal/mol:	1.69
Dipole, Da:	6.75
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-2-methoxycarbonyl-3-methylbutanoyl)-2-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C=C(C(=NC1=O)C)C2=CC=C(S2)CNCC3=CC=CS3.Cl

DOS

IR

Vibrations