Geometry & MOs

Info

ID:	166904
PubChem CID:	74752697
Reduced:	O4N5H21C24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	389.123169
ΔH_f, kcal/mol:	11.23
Dipole, Da:	5.26
IP(EA), eV:	-9.29(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-(2-phenylsulfanylethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)COC(=O)C(=CC2=CC=CO2)N3C(=NN=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations