Geometry & MOs

Info

ID:	402517
PubChem CID:	135056256
Reduced:	O5C24H32 (1)
Stoich.:	A5B24C32 (1)
Weight, g/mol:	453.20459
ΔH_f, kcal/mol:	-229.68
Dipole, Da:	2.16
IP(EA), eV:	-9.4(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2C(=O)C[C@]\5([C@H]4CC/C5=C/C(=O)OC)C)OCCO3

DOS

IR

Vibrations