Geometry & MOs

Info

ID:	423819
PubChem CID:	135120360
Reduced:	N7O7C40H51 (1)
Stoich.:	A7B7C40D51 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-276.56
Dipole, Da:	5.87
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylsulfonylamino)-N-[1-(6-methylpyridin-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=C4C=C(C=CC4=NC(=C3)C)C)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations