Geometry & MOs

Info

ID:	159052
PubChem CID:	57260078
Reduced:	NO6C30H35 (1)
Stoich.:	AB6C30D35 (1)
Weight, g/mol:	403.083806
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	4.45
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[4-(sulfanylcarbamoyl)benzoyl]carbamoylamino]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)COC(=O)CCCC6=CC=C(C=C6)OC)C=C1

DOS

IR

Vibrations