Geometry & MOs

Info

ID:

417915

PubChem CID:

135103050

Reduced:

N5O6C33H47 (1)

Stoich.:

A5B6C33D47 (1)

Weight, g/mol:

755.291274

ΔHf, kcal/mol:

-234.55

Dipole, Da:

4.87

IP(EA), eV:

 -8.91(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[3-(difluoromethoxy)benzoyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)N2CCCC(=O)N[C@H](C(=O)N([C@H](C(=O)NCCC2)C)C)CC3=CC=C(C=C3)OC)CN4CCCC4

DOS

IR

Vibrations