Geometry & MOs

Info

ID:	148969
PubChem CID:	53788640
Reduced:	N2O7C22H30 (1)
Stoich.:	A2B7C22D30 (1)
Weight, g/mol:	353.104542
ΔH_f, kcal/mol:	-221.4
Dipole, Da:	10.69
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[3-acetylsulfanyl-4-(5-methyl-1H-pyrazol-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCCCN(C1CCCCC1)C(=O)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C=O

DOS

IR

Vibrations