Geometry & MOs

Info

ID:

220086

PubChem CID:

85165225

Reduced:

S2N5O9C28H33 (1)

Stoich.:

A2B5C9D28E33 (1)

Weight, g/mol:

647.291444

ΔHf, kcal/mol:

-233.03

Dipole, Da:

10.22

IP(EA), eV:

 -9.1(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[tert-butyl(dimethyl)silyl]oxy-1-[2,2-dimethyl-5-(4-phenylmethoxybenzoyl)-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CSCCC(=O)NCC#N)C(=O)O)C(C)O

DOS

IR

Vibrations