Geometry & MOs

Info

ID:	1145
PubChem CID:	3852
Reduced:	S2N3O6C26H45 (1)
Stoich.:	A2B3C6D26E45 (1)
Weight, g/mol:	559.274979
ΔH_f, kcal/mol:	-278.58
Dipole, Da:	6.74
IP(EA), eV:	-8.98(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[2-[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(COC(CC1=CC=CC=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C)NCC(CS)N

DOS

IR

Vibrations