Geometry & MOs

Info

ID:	187105
PubChem CID:	77530339
Reduced:	O2C21H38 (1)
Stoich.:	A2B21C38 (1)
Weight, g/mol:	554.090594
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	2.45
IP(EA), eV:	-10.35(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-4-(3,5-dimethylpyrazin-2-yl)-1,3-thiazol-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1CCCCCCCCCCCCCCCCC=C(C1=O)O

DOS

IR

Vibrations