Geometry & MOs

Info

ID:	236849
PubChem CID:	92714994
Reduced:	SN3O3C27H33 (1)
Stoich.:	AB3C3D27E33 (1)
Weight, g/mol:	468.150112
ΔH_f, kcal/mol:	-85.57
Dipole, Da:	7.67
IP(EA), eV:	-8.04(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,2,5-trimethyl-4-[(3R)-3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidin-1-yl]sulfonylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)N[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations