Geometry & MOs

Info

ID:	33509
PubChem CID:	7886781
Reduced:	ON2S2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	36.13
Dipole, Da:	2.63
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations