Geometry & MOs

Info

ID:	433325
PubChem CID:	135173462
Reduced:	F6N8O8C53H70 (1)
Stoich.:	A6B8C8D53E70 (1)
Weight, g/mol:	201.209264
ΔH_f, kcal/mol:	-548.73
Dipole, Da:	7.3
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2,6-dimethyl-4-(propan-2-ylamino)heptan-3-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C(C)OCC#CC#CCOC(C)C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3CN(CCCC4=CC=CC=C4)C(=O)C(F)(F)F)NC

DOS

IR

Vibrations