Geometry & MOs

Info

ID:	168759
PubChem CID:	75014595
Reduced:	O2N5F7C30H40 (1)
Stoich.:	A2B5C7D30E40 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-386.4
Dipole, Da:	7.59
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-aminopropanoylamino)-5-phenylpentanoyl]amino]-4-methyl-N-phenylpentanamide

Drug info:

PubChemData

Smile

CC(C)N(CC1C(NNN1)CN2CCOC(C2C3=CC=C(C=C3)F)OC(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(C)C

DOS

IR

Vibrations