Geometry & MOs

Info

ID:

419682

PubChem CID:

135108697

Reduced:

SN5O6C32H45 (1)

Stoich.:

AB5C6D32E45 (1)

Weight, g/mol:

373.247775

ΔHf, kcal/mol:

-265.06

Dipole, Da:

8.55

IP(EA), eV:

 -9.28(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[methyl(pyridin-4-ylmethyl)amino]-1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations