Geometry & MOs

Info

ID:	233640
PubChem CID:	91147155
Reduced:	PO3C7H17 (1)
Stoich.:	AB3C7D17 (1)
Weight, g/mol:	641.214658
ΔH_f, kcal/mol:	-201.56
Dipole, Da:	2.58
IP(EA), eV:	-9.83(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[[6,8-diamino-4-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]-4-fluorophenyl]methylcarbamoyl]imidazo[1,5-a]pyrimidine-2-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCOP(=O)(C)CC

DOS

IR

Vibrations