Geometry & MOs

Info

ID:	306614
PubChem CID:	125092550
Reduced:	ClSN3O4C26H36 (1)
Stoich.:	ABC3D4E26F36 (1)
Weight, g/mol:	629.212648
ΔH_f, kcal/mol:	-181.5
Dipole, Da:	2.21
IP(EA), eV:	-9.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)N(CC2=CC=CC=C2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)C

DOS

IR

Vibrations