Geometry & MOs

Info

ID:	219760
PubChem CID:	85164863
Reduced:	SN3O8C30H31 (1)
Stoich.:	AB3C8D30E31 (1)
Weight, g/mol:	593.242038
ΔH_f, kcal/mol:	-199.7
Dipole, Da:	5.57
IP(EA), eV:	-9.08(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(phenylsulfamoylamino)-3-[[1-[3-(pyridin-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2=O)C=C3CCN(C3=O)O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations