Geometry & MOs

Info

ID:

433583

PubChem CID:

135173723

Reduced:

ClON7C37H38 (1)

Stoich.:

ABC7D37E38 (1)

Weight, g/mol:

1114.436458

ΔHf, kcal/mol:

78.06

Dipole, Da:

7.05

IP(EA), eV:

 -7.93(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,4S,7R,12S,15R,18S,21R,25S)-2,4,13,16,18,26-hexamethyl-28-methylsulfanyl-3,6,11,14,17,20,24,27-octaoxo-12,25-di(propan-2-yl)-21-(quinoxaline-2-carbonylamino)-10,23-dioxa-29-thia-2,5,13,16,19,26-hexazabicyclo[13.12.3]triacontan-7-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC=C(C=C6)CN7CCCC7)Cl

DOS

IR

Vibrations