Geometry & MOs

Info

ID:

319625

PubChem CID:

126656843

Reduced:

O2N4C25H36 (1)

Stoich.:

A2B4C25D36 (1)

Weight, g/mol:

621.250016

ΔHf, kcal/mol:

-34.88

Dipole, Da:

4.98

IP(EA), eV:

 -8.26(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-[2-[(2S)-1-[4-(aminomethyl)piperidine-1-carbonyl]-4-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]-5-chloro-1H-imidazol-4-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]1[C@H]([C@H]2C[C@@H]3C1N(C2)CCC4=C3N(C5=C4C=C(C=C5)O)C(=O)NCCN(C)C)C

DOS

IR

Vibrations