Geometry & MOs

Info

ID:	157752
PubChem CID:	56436969
Reduced:	SN4O5C19H22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	3.4
IP(EA), eV:	-9.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)NCCCC3=NC(=NO3)C

DOS

IR

Vibrations