Geometry & MOs

Info

ID:	392459
PubChem CID:	135016685
Reduced:	SN2O2C18H22 (2)
Stoich.:	AB2C2D18E22 (2)
Weight, g/mol:	336.118401
ΔH_f, kcal/mol:	-88.5
Dipole, Da:	9.42
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-(2-methylpropoxy)phenyl]thiophen-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CN[C@@H]2CCCC[C@H]2NC[C@@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations