Geometry & MOs

Info

ID:	220186
PubChem CID:	85165338
Reduced:	SN4O9C32H52 (1)
Stoich.:	AB4C9D32E52 (1)
Weight, g/mol:	668.292008
ΔH_f, kcal/mol:	-465.07
Dipole, Da:	4.09
IP(EA), eV:	-8.73(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(tritylamino)hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCSC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations