Geometry & MOs

Info

ID:	184358
PubChem CID:	77150975
Reduced:	FN3O7C31H46 (1)
Stoich.:	AB3C7D31E46 (1)
Weight, g/mol:	567.330836
ΔH_f, kcal/mol:	-347.46
Dipole, Da:	9.32
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-[(2-butoxyacetyl)amino]-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1OCCCOC)N2C3CC3C(OC(=O)N4CC(C2=O)CC(C4)C(=O)NC(C)COCC)(C)C)F

DOS

IR

Vibrations