Geometry & MOs

Info

ID:

214508

PubChem CID:

85083136

Reduced:

O4N7C29H33 (1)

Stoich.:

A4B7C29D33 (1)

Weight, g/mol:

543.259403

ΔHf, kcal/mol:

-40.84

Dipole, Da:

3.29

IP(EA), eV:

 -8.4(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-(4-cyclodec-4-en-2,6-diyn-1-yloxybut-2-enoylamino)-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC2C(=O)NC3CC3)N4C=NC5=C(N=CN=C54)NCCC6=CN(C7=CC=CC=C76)CC=C)C

DOS

IR

Vibrations