Geometry & MOs

Info

ID:	179569
PubChem CID:	76501348
Reduced:	O6C25H44 (1)
Stoich.:	A6B25C44 (1)
Weight, g/mol:	696.384663
ΔH_f, kcal/mol:	-333.42
Dipole, Da:	8.01
IP(EA), eV:	-9.83(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(tert-butylcarbamoyl)-4-[1-[(2,4-diamino-4-oxobutanoyl)-phenylmethoxycarbonylamino]-2-hydroxy-4-phenylbutyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC=CC1CCC(=O)C1CCCCC(C)(C)C(C(O)OCCO)C(=O)O

DOS

IR

Vibrations