Geometry & MOs

Info

ID:	310235
PubChem CID:	126577089
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	534.175933
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	5.22
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-5-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCNC4)N5C=CC=C5

DOS

IR

Vibrations