Geometry & MOs

Info

ID:	219074
PubChem CID:	85090450
Reduced:	O4N5C31H41 (1)
Stoich.:	A4B5C31D41 (1)
Weight, g/mol:	547.348218
ΔH_f, kcal/mol:	-130.72
Dipole, Da:	8.69
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[[2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-6-(carbamoylhydrazinylidene)hexyl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(CCC1=CC=CC=C1)C(=O)NC(CCCN=C2CN3CCC2CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations