Geometry & MOs

Info

ID:	221637
PubChem CID:	85285799
Reduced:	BrS3N5O5H16C19 (1)
Stoich.:	AB3C5D5E16F19 (1)
Weight, g/mol:	570.295454
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	3.29
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=CC=CC=C4Br)C(=O)O

DOS

IR

Vibrations