Geometry & MOs

Info

ID:	177946
PubChem CID:	76255257
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	10.53
IP(EA), eV:	-8.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]-2,3-dihydroindole-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C=CC2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations