Geometry & MOs

Info

ID:	161588
PubChem CID:	57392072
Reduced:	NF2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	441.201219
ΔH_f, kcal/mol:	-219.58
Dipole, Da:	2.93
IP(EA), eV:	-9.12(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-hydroxy-1-[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1COCCN1CC(COC2=C(C=C(C=C2)F)C(=O)CCC3=CC=C(C=C3)F)O

DOS

IR

Vibrations