Geometry & MOs

Info

ID:	445538
PubChem CID:	135267831
Reduced:	SN4F5O6H21C31 (1)
Stoich.:	AB4C5D6E21F31 (1)
Weight, g/mol:	497.01365
ΔH_f, kcal/mol:	-327.95
Dipole, Da:	6.15
IP(EA), eV:	-9.28(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-amino-5-[[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]amino]pent-4-en-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=CC3=C(C=C2)OC(O3)(F)F)C4=C(C=CC(=C4)C5=CC(=C6COS(=O)C6=C5)F)C7=CC(=NN7C)C(C(=O)NC)(F)F

DOS

IR

Vibrations