Geometry & MOs

Info

ID:	382869
PubChem CID:	134974267
Reduced:	SC20H20 (1)
Stoich.:	AB20C20 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	31.2
Dipole, Da:	2.34
IP(EA), eV:	-8.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-1-[(4-methylphenyl)methoxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C3=C(CCCC3)C=C2)CC4=CC=CC=C4

DOS

IR

Vibrations