Geometry & MOs

Info

ID:	157376
PubChem CID:	56423137
Reduced:	SN2O5C20H36 (1)
Stoich.:	AB2C5D20E36 (1)
Weight, g/mol:	404.120607
ΔH_f, kcal/mol:	-282.13
Dipole, Da:	3.41
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC(C)N(CC1CCCN(C1)C(=O)CCSCC(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations