Geometry & MOs

Info

ID:	429330
PubChem CID:	135169299
Reduced:	SO5N8C23H32 (1)
Stoich.:	AB5C8D23E32 (1)
Weight, g/mol:	458.08149
ΔH_f, kcal/mol:	-173.73
Dipole, Da:	5.68
IP(EA), eV:	-9.38(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbonyl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1)NC(=O)[C@H](CCC(=O)N)NC(=O)C

DOS

IR

Vibrations