Geometry & MOs

Info

ID:	43366
PubChem CID:	10321181
Reduced:	NO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	443.082092
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	4.16
IP(EA), eV:	-9.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-(methylamino)-3-oxopropyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N2[C@@H](C(=O)O[C@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4)CCC=O

DOS

IR

Vibrations