Geometry & MOs

Info

ID:	32148
PubChem CID:	4266385
Reduced:	ClN3O6C23H26 (1)
Stoich.:	AB3C6D23E26 (1)
Weight, g/mol:	464.193378
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	4.76
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CN(CC2=O)C(=O)CN(CC3=CC=CO3)C(=O)CCCC(=O)OC

DOS

IR

Vibrations