Geometry & MOs

Info

ID:

179418

PubChem CID:

76481372

Reduced:

SN4O8C33H45 (1)

Stoich.:

AB4C8D33E45 (1)

Weight, g/mol:

658.303636

ΔHf, kcal/mol:

-302.04

Dipole, Da:

8.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767303

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-amino-5-[[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,5-diphenylpentan-2-yl]amino]-2,2-dimethyl-5-oxopentanoyl]-2,3-dihydro-1,4-oxazine-5-sulfinic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)C(CC(C)(C)C(=O)N3CCOC=C3S(=O)[O-])N)O

DOS

IR

Vibrations