Geometry & MOs

Info

ID:	163320
PubChem CID:	57741277
Reduced:	OSN6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	600.233247
ΔH_f, kcal/mol:	47.15
Dipole, Da:	2.26
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyclopropyl-[5-methyl-4-[2-methyl-5-(propylcarbamoyl)anilino]pyrrolo[2,1-f][1,2,4]triazine-6-carbonyl]carbamoyl]oxymethyl 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCN1CCCC1CNCC(=O)NC2=NC3=C(S2)C4=C(CC3)C=NN4C5=CC=CC=C5

DOS

IR

Vibrations