Geometry & MOs

Info

ID:	309391
PubChem CID:	126545919
Reduced:	SN4O5C22H28 (1)
Stoich.:	AB4C5D22E28 (1)
Weight, g/mol:	562.31552
ΔH_f, kcal/mol:	-129.38
Dipole, Da:	5.01
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-(but-3-enylcarbamoyl)-4-[3-[1-(phenylmethoxycarbonylamino)but-3-enyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2=NC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCN(CC3)C4COC4

DOS

IR

Vibrations