Geometry & MOs

Info

ID:	173103
PubChem CID:	75597279
Reduced:	OC40H60 (1)
Stoich.:	AB40C60 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	1.88
IP(EA), eV:	-8.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-4-methylpentanoyl)amino]-3-(9H-fluoren-9-ylmethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(C)CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C

DOS

IR

Vibrations