Geometry & MOs

Info

ID:	194492
PubChem CID:	78544725
Reduced:	OS2N5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	373.134779
ΔH_f, kcal/mol:	67.53
Dipole, Da:	6.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967087
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NN=C(S3)NCC=C

DOS

IR

Vibrations