Geometry & MOs

Info

ID:	218524
PubChem CID:	85089570
Reduced:	S2O7C23H24 (1)
Stoich.:	A2B7C23D24 (1)
Weight, g/mol:	476.29987
ΔH_f, kcal/mol:	-217.09
Dipole, Da:	4.15
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-methyl-1-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutyl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC)OC(=S)SC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations