Geometry & MOs

Info

ID:	447531
PubChem CID:	135283651
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	448.00839
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	4.92
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methoxypiperidin-4-yl]-4-chloro-5-ethyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCCNC4)C5CCCC5)C(=O)C

DOS

IR

Vibrations