Geometry & MOs

Info

ID:

421179

PubChem CID:

135115517

Reduced:

N2O2C8H11 (2)

Stoich.:

A2B2C8D11 (2)

Weight, g/mol:

790.383617

ΔHf, kcal/mol:

-122.77

Dipole, Da:

7.13

IP(EA), eV:

 -9.04(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-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

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=C3N(C=CN3N=C2)C)C(=O)O

DOS

IR

Vibrations