Geometry & MOs

Info

ID:	148983
PubChem CID:	53788654
Reduced:	Cl2O2N3C27H27 (1)
Stoich.:	A2B2C3D27E27 (1)
Weight, g/mol:	541.07609
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	5.94
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-acetyl-2-[(1R,2R)-2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 6-(methylamino)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1(C=CC=CC1=O)C2[C@H](N=CC3=CC=CC=C3N2)NC(=O)CCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations