Geometry & MOs

Info

ID:

151191

PubChem CID:

53790891

Reduced:

S2N6O7C40H70 (1)

Stoich.:

A2B6C7D40E70 (1)

Weight, g/mol:

329.231456

ΔHf, kcal/mol:

-303.69

Dipole, Da:

10.54

IP(EA), eV:

 -8.53(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-(3-aminocyclohexyl)-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=C)NC1CCCC(C1)C[C@@H](C(=O)C2=NC=CS2)NC(=O)OC(C)(C)C.CC(=C)SC.CC(C)(C)OC(=O)N[C@@H](CC1CCCC(C1)N)C(=O)N(C)OC

DOS

IR

Vibrations