Geometry & MOs

Info

ID:	361478
PubChem CID:	127303605
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	4.88
IP(EA), eV:	-9.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C(=O)CNC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations