Geometry & MOs

Info

ID:

416958

PubChem CID:

135090904

Reduced:

O2N5C16H25 (1)

Stoich.:

A2B5C16D25 (1)

Weight, g/mol:

772.336667

ΔHf, kcal/mol:

-74.65

Dipole, Da:

5.98

IP(EA), eV:

 -8.77(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-[4-(2-oxopyrrolidin-1-yl)benzoyl]-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

CC1=CC(=NC(=N1)N2CCCCC2)N[C@@H]3C[C@H](N(C3)C)C(=O)O

DOS

IR

Vibrations