Geometry & MOs

Info

ID:	414898
PubChem CID:	135087870
Reduced:	SO4N8C34H46 (1)
Stoich.:	AB4C8D34E46 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	7.37
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN2CC(=O)N[C@H](CN(CC(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C2=N1)CC4=CC=CC=C4)CC(C)C)C(=O)C5(CC5)C)C(C)C

DOS

IR

Vibrations