Geometry & MOs

Info

ID:	157618
PubChem CID:	56436119
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	4.72
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[ethyl-[2-(pyridine-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2C(=O)C3=CC=CC=C3)C(=O)NCC4(CCSC4)N5CCOCC5

DOS

IR

Vibrations